2-(diethylamino)-3-[2-(diethylamino)ethyl-ethylamino]propanoic acid

C15H33N3O2 — CID 23592928

IUPAC2-(diethylamino)-3-[2-(diethylamino)ethyl-ethylamino]propanoic acid
SMILESCCN(CC)CCN(CC)CC(C(=O)O)N(CC)CC
InChIInChI=1S/C15H33N3O2/c1-6-16(7-2)11-12-17(8-3)13-14(15(19)20)18(9-4)10-5/h14H,6-13H2,1-5H3,(H,19,20)
InChIKeyLLFAOZVROVHOQX-UHFFFAOYSA-N
MW287.45 g/mol
LogP1.45
Rot. Bonds12

About 2-(diethylamino)-3-[2-(diethylamino)ethyl-ethylamino]propanoic acid

2-(diethylamino)-3-[2-(diethylamino)ethyl-ethylamino]propanoic acid (PubChem CID 23592928) has the molecular formula C15H33N3O2 and a molecular weight of 287.45 g/mol. Its IUPAC name is 2-(diethylamino)-3-[2-(diethylamino)ethyl-ethylamino]propanoic acid.

Molecular Properties

Compound Name2-(diethylamino)-3-[2-(diethylamino)ethyl-ethylamino]propanoic acid
PubChem CID23592928
Molecular FormulaC15H33N3O2
Molecular Weight287.45 g/mol
Exact Mass287.26
IUPAC Name2-(diethylamino)-3-[2-(diethylamino)ethyl-ethylamino]propanoic acid
SMILESCCN(CC)CCN(CC)CC(C(=O)O)N(CC)CC
InChIInChI=1S/C15H33N3O2/c1-6-16(7-2)11-12-17(8-3)13-14(15(19)20)18(9-4)10-5/h14H,6-13H2,1-5H3,(H,19,20)
InChIKeyLLFAOZVROVHOQX-UHFFFAOYSA-N
XLogP1.45
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-bis(diethylamino)hexanedioic acid
CID 175154471
(2R)-2-(diethylamino)pentanoic acid
CID 30030442
2,7-bis(diethylamino)octanedioic acid
CID 175151576
2-(diethylamino)-6-[dodecyl(ethyl)amino]hexanoic acid
CID 155231128
2-amino-3-[3-(diethylamino)propyl-ethylamino]propanoic acid
CID 102994758
3-[ethyl(propyl)amino]-2-methylpropanoic acid
CID 43538770
2-[ethyl(2-hydroxyethyl)amino]butanoic acid
CID 60981042
2-(diethylamino)heptanoic acid
CID 43803668
3-[2-carboxyethyl-[2-(diethylamino)ethyl]amino]-2-methylpropanoic acid
CID 82329266
2-[[3-(diethylamino)propyl-ethylamino]methyl]-3,3,3-trifluoropropanoic acid
CID 102994780
acetic acid;N',N'-diethylethane-1,2-diamine
CID 175226296
acetic acid;N,N-diethylethanamine;dihydrochloride
CID 173065244

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-3-[2-(diethylamino)ethyl-ethylamino]propanoic acid?
The IUPAC name of 2-(diethylamino)-3-[2-(diethylamino)ethyl-ethylamino]propanoic acid (CID 23592928) is 2-(diethylamino)-3-[2-(diethylamino)ethyl-ethylamino]propanoic acid.
What is the SMILES notation for 2-(diethylamino)-3-[2-(diethylamino)ethyl-ethylamino]propanoic acid?
The canonical SMILES for 2-(diethylamino)-3-[2-(diethylamino)ethyl-ethylamino]propanoic acid is CCN(CC)CCN(CC)CC(C(=O)O)N(CC)CC.
What is the InChIKey of 2-(diethylamino)-3-[2-(diethylamino)ethyl-ethylamino]propanoic acid?
The InChIKey is LLFAOZVROVHOQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3O2/c1-6-16(7-2)11-12-17(8-3)13-14(15(19)20)18(9-4)10-5/h14H,6-13H2,1-5H3,(H,19,20).
What are the key properties of 2-(diethylamino)-3-[2-(diethylamino)ethyl-ethylamino]propanoic acid?
2-(diethylamino)-3-[2-(diethylamino)ethyl-ethylamino]propanoic acid has a molecular weight of 287.45 g/mol, XLogP of 1.45, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-3-[2-(diethylamino)ethyl-ethylamino]propanoic acid is sourced from PubChem (CID 23592928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).